The forces which were given from outside are written in Cartesian coordinates. This file has to be prepared to calculate phonon properties. The first line gives the number of calculations of displaced structures. The second line gives the displacements. The first column is the atom number in supercell. The later columns are the vector of displacement in the unit of reduced coordinates. The later lines give the forces. The order is important. The calculations of displaced structures of same displaced atom must be written in succession.
	1   0.000845   0.000000   0.000000
	 -0.09613714     0.00000000    -0.01436430
	  0.01597874     0.00000000    -0.01527745
	  0.01583816     0.00000000    -0.01084888

togo 2009-02-12
Get fropho at Fast, secure and Free Open Source software downloads